methyl 10-oxidanylidene-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylate

Systemtic Name: methyl 10-oxidanylidene-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylate Openeye Name: methyl 10-oxo-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylate CAS Name: 10-oxo-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxin-7-carboxylic acid methyl ester IUPAC Name: methyl 10-oxo-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxine-7-carboxylate Traditional Name: 10-keto-2,3,6,7-tetrahydrothiepino[4,5-g][1,4]benzodioxin-7-carboxylic acid methyl ester Formula: C14H14O5S MolecularWeight: 294.32296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC3=C(C=C2C(=O)CS1)OCCO3

Isomeric SMILES

COC(=O)C1CC2=CC3=C(C=C2C(=O)CS1)OCCO3

InChI

InChI=1S/C14H14O5S/c1-17-14(16)13-5-8-4-11-12(19-3-2-18-11)6-9(8)10(15)7-20-13/h4,6,13H,2-3,5,7H2,1H3